MolNFT v1 · #156676 · protein
Crystal structure of wild-type KRAS (1-169) bound to GDP and mg (space group P3)
6MBU · GTPase KRAS: “Crystal structure of wild-type KRAS (1-169) bound to GDP and mg (space group P3)”. X-ray diffraction, 2 ligands (GDP, MG), 4 pockets (best druggability 0.45). MolNFT v1 #156676 on GenesisL1: 3D structure, binding sites…
- PDB
- 6MBU
- Type
- protein
- Length
- 328 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase KRAS
- UniProt
- P01116
- Ligands
- GDP, MG
- Pockets
- 4 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTPase KRAS | protein | 169 | 37% helix, 25% strand | P01116 |
| B | GTPase KRAS | protein | 159 | 33% helix, 27% strand | P01116 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 5 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.45 | 0.77 | 27 | MG, GDP, GOL |
| 2 | 106 | 0.42 | 0.77 | 26 | MG, GDP |
| 3 | 86 | 0.37 | 0.76 | 19 | empty |
| 4 | 55 | 0.37 | 0.79 | 18 | GOL |
Interfaces
1 interface between chains.
- A–B · 356 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6MBU · Crystal structure of wild-type KRAS (1-169) bound to GDP and Mg (Space group P3) · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P01116
- Elsewhere: RCSB PDB 6MBU · PDBe 6MBU · UniProt P01116
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